SCHEMBL20976567

SCHEMBL20976567

CC(C)c1sc(C(C)C)c(O)c1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.33
GABRB1 P18505 4/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
GABRB2 P47870 2/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRG2 P18507 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
HTR2B P41595 1/20 0.33
GABRA2 P47869 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24677817 0.83
SCHEMBL14226084 0.69
SCHEMBL10197126 0.64 L3MBTL1 (0.30)
SCHEMBL31430964 0.63
SCHEMBL25479146 0.62
SCHEMBL14063283 0.61 GPR3 (0.39) GABRA1GABRB2CYP1A2HPGDTSHR
SCHEMBL1760594 0.60 GABRA1 (0.38) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL12732565 0.58 GSK3B (0.39)
SCHEMBL19730500 0.57 LDHA (0.37) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL19998507 0.57 LDHA (0.37) GABRA1GABRB1CA1CA2GABRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909298-B1 METHOD FOR PRODUCING SOLID ELECTROLYTIC CAPACITOR SHOWA DENKO KK (JP) 2019-05-08 EP disclosed